[3-di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-ylidene]cyclopentane

C14H24F3O3P — CID 10404207

IUPAC[3-di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-ylidene]cyclopentane
SMILESCC(C)OP(=O)(CC(=C1CCCC1)C(F)(F)F)OC(C)C
InChIInChI=1S/C14H24F3O3P/c1-10(2)19-21(18,20-11(3)4)9-13(14(15,16)17)12-7-5-6-8-12/h10-11H,5-9H2,1-4H3
InChIKeyWQZBXFCIMICNQS-UHFFFAOYSA-N
MW328.31 g/mol
LogP5.46
Rot. Bonds6

About [3-di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-ylidene]cyclopentane

[3-di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-ylidene]cyclopentane (PubChem CID 10404207) has the molecular formula C14H24F3O3P and a molecular weight of 328.31 g/mol. Its IUPAC name is [3-di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-ylidene]cyclopentane.

Molecular Properties

Compound Name[3-di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-ylidene]cyclopentane
PubChem CID10404207
Molecular FormulaC14H24F3O3P
Molecular Weight328.31 g/mol
Exact Mass328.14
IUPAC Name[3-di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-ylidene]cyclopentane
SMILESCC(C)OP(=O)(CC(=C1CCCC1)C(F)(F)F)OC(C)C
InChIInChI=1S/C14H24F3O3P/c1-10(2)19-21(18,20-11(3)4)9-13(14(15,16)17)12-7-5-6-8-12/h10-11H,5-9H2,1-4H3
InChIKeyWQZBXFCIMICNQS-UHFFFAOYSA-N
XLogP5.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.31
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(3-Diethoxyphosphoryl-1,1,1-trifluoropropan-2-ylidene)cyclopentane
CID 10108803
(E)-2-[di(propan-2-yloxy)phosphorylmethyl]-1,1,1-trifluoro-3-methylhex-2-ene
CID 101921763
(E)-2-(diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylhex-2-ene
CID 101921764
(2-Diethoxyphosphoryl-3,3,3-trifluoroprop-1-enylidene)cyclopentane
CID 102260719
(Z)-2-[di(propan-2-yloxy)phosphorylmethyl]-1,1,1-trifluoro-3-methylhex-2-ene
CID 9996716
(Z)-2-(diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylhex-2-ene
CID 10470157
6-Diethoxyphosphoryl-7,7-difluoro-2-methylhept-2-ene
CID 23236893
(3-Dipropoxyphosphoryl-1,1,1-trifluoropropan-2-ylidene)cyclopentane
CID 101921765
3-Diethoxyphosphoryl-1-(difluoromethyl)cyclopentene
CID 162536390

Frequently Asked Questions

What is the IUPAC name of [3-di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-ylidene]cyclopentane?
The IUPAC name of [3-di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-ylidene]cyclopentane (CID 10404207) is [3-di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-ylidene]cyclopentane.
What is the SMILES notation for [3-di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-ylidene]cyclopentane?
The canonical SMILES for [3-di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-ylidene]cyclopentane is CC(C)OP(=O)(CC(=C1CCCC1)C(F)(F)F)OC(C)C.
What is the InChIKey of [3-di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-ylidene]cyclopentane?
The InChIKey is WQZBXFCIMICNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3O3P/c1-10(2)19-21(18,20-11(3)4)9-13(14(15,16)17)12-7-5-6-8-12/h10-11H,5-9H2,1-4H3.
What are the key properties of [3-di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-ylidene]cyclopentane?
[3-di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-ylidene]cyclopentane has a molecular weight of 328.31 g/mol, XLogP of 5.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-ylidene]cyclopentane is sourced from PubChem (CID 10404207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).